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BDBM287466 US9567339, Example J.1.5

SMILES: Cc1c(NC(=O)\C=C\CN2CCOCC2)cccc1-c1ccc(C(N)=O)c2[nH]ccc12

InChI Key: InChIKey=CJJAZCRMLPKAFX-ZZXKWVIFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 287466   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM287466
PNG
(US9567339, Example J.1.5)
Show SMILES Cc1c(NC(=O)\C=C\CN2CCOCC2)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N4O3/c1-16-17(18-7-8-20(24(25)30)23-19(18)9-10-26-23)4-2-5-21(16)27-22(29)6-3-11-28-12-14-31-15-13-28/h2-10,26H,11-15H2,1H3,(H2,25,30)(H,27,29)/b6-3+
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/a6.525



AbbVie Inc

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...


US Patent US9567339 (2017)


Article DOI: 10.1021/jm060189a
BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair